1,8-dibromo-17-(2,4,6-trimethylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Chemical Structure Depiction of
1,8-dibromo-17-(2,4,6-trimethylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
1,8-dibromo-17-(2,4,6-trimethylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
Compound characteristics
| Compound ID: | 8006-4099 |
| Compound Name: | 1,8-dibromo-17-(2,4,6-trimethylphenyl)-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione |
| Molecular Weight: | 551.28 |
| Molecular Formula: | C27 H21 Br2 N O2 |
| Smiles: | Cc1cc(C)c(c(C)c1)N1C(C2C(C1=O)C1(c3ccccc3C2(c2ccccc12)[Br])[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7389 |
| logD: | 6.7389 |
| logSw: | -5.6952 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8476 |
| InChI Key: | AVHUDWSSHYIYRV-UHFFFAOYSA-N |